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2-[2-(2-chlorophenoxy)acetamido]-5-methylbenzoic acid

2-[2-(2-chlorophenoxy)acetamido]-5-methylbenzoic acid

Formula: C16H14ClNO4

SMILES: CC1=CC=C(NC(=O)COC2=CC=CC=C2Cl)C(=C1)C(O)=O

IUPAC: 2-[2-(2-chlorophenoxy)acetamido]-5-methylbenzoic acid

InChI: InChI=1S/C16H14ClNO4/c1-10-6-7-13(11(8-10)16(20)21)18-15(19)9-22-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,18,19)(H,20,21)

Composition: C (60.10%), H (4.41%), Cl (11.09%), N (4.38%), O (20.01%)

Molar Mass: 319.74

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 319.0611356
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RAEHIJPJXDDDCD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.99
Topological Polar Surface Area 75.63
Polarizability 31.51
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H14ClNO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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